From 3ee209d0314c989203c8f954d90b3c69cdd9c77a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 25 May 2022 06:35:08 -0400 Subject: [PATCH] update singularity definition for ubuntu22.04LTS This now has the changes required to include the openkim-api package --- tools/singularity/ubuntu22.04.def | 43 +++++++++++++++---------------- 1 file changed, 21 insertions(+), 22 deletions(-) diff --git a/tools/singularity/ubuntu22.04.def b/tools/singularity/ubuntu22.04.def index cf4aa7e175..62a24e81f3 100644 --- a/tools/singularity/ubuntu22.04.def +++ b/tools/singularity/ubuntu22.04.def @@ -4,8 +4,8 @@ From: ubuntu:22.04 %post export DEBIAN_FRONTEND=noninteractive apt-get update - apt-get install --no-install-recommends -y software-properties-common -# add-apt-repository ppa:openkim/latest + apt-get install --no-install-recommends -y software-properties-common gpg gpg-agent + add-apt-repository ppa:openkim/latest apt-get update apt-get upgrade --no-install-recommends -y apt-get install --no-install-recommends -y \ @@ -74,29 +74,28 @@ From: ubuntu:22.04 zstd \ libyaml-cpp-dev \ libkim-api-dev \ - gpg-agent \ -# openkim-models + openkim-models -# ########################################################################### -# # KIM-API -# ########################################################################### -# -# # workaround for installing files in /usr/share/doc inside of a container -# sed -i 's/path-exclude=\/usr\/share\/doc/#path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes -# apt-get install -y libkim-api-doc -# sed -i 's/#path-exclude=\/usr\/share\/doc/path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes -# -# # install KIM models -# KIM_API_EXAMPLES=/usr/share/doc/libkim-api-dev/examples + ########################################################################### + # KIM-API + ########################################################################### + + # workaround for installing files in /usr/share/doc inside of a container + sed -i 's/path-exclude=\/usr\/share\/doc/#path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes + apt-get install -y libkim-api-doc + sed -i 's/#path-exclude=\/usr\/share\/doc/path-exclude=\/usr\/share\/doc/g' /etc/dpkg/dpkg.cfg.d/excludes + + # install KIM models + KIM_API_EXAMPLES=/usr/share/doc/libkim-api-dev/examples # gunzip $KIM_API_EXAMPLES/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003/LennardJones612_UniversalShifted.params.gz # gunzip $KIM_API_EXAMPLES/model-drivers/ex_model_driver_P_LJ/ex_model_driver_P_LJ.f90.gz -# -# kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/LennardJones612__MD_414112407348_003 -# kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/ex_model_driver_P_LJ -# kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones_Ar -# kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/ex_model_Ar_P_LJ -# kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003 -# kim-api-collections-management install system $KIM_API_EXAMPLES/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu + + kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/LennardJones612__MD_414112407348_003 + kim-api-collections-management install system $KIM_API_EXAMPLES/model-drivers/ex_model_driver_P_LJ + kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones_Ar + kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/ex_model_Ar_P_LJ + kim-api-collections-management install system $KIM_API_EXAMPLES/portable-models/LennardJones612_UniversalShifted__MO_959249795837_003 + kim-api-collections-management install system $KIM_API_EXAMPLES/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu ###########################################################################